1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine

C18H22BrN — CID 63411934

IUPAC1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrN/c1-4-20-18(16-7-9-17(19)10-8-16)12-15-6-5-13(2)14(3)11-15/h5-11,18,20H,4,12H2,1-3H3
InChIKeyHOXFPHPUQDCIEX-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.96
Rot. Bonds5

About 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine

1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine (PubChem CID 63411934) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
PubChem CID63411934
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrN/c1-4-20-18(16-7-9-17(19)10-8-16)12-15-6-5-13(2)14(3)11-15/h5-11,18,20H,4,12H2,1-3H3
InChIKeyHOXFPHPUQDCIEX-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803182
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 81459580
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63526766
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine (CID 63411934) is 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(C)c(C)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine?
The InChIKey is HOXFPHPUQDCIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-4-20-18(16-7-9-17(19)10-8-16)12-15-6-5-13(2)14(3)11-15/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine?
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine has a molecular weight of 332.29 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 63411934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).